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Information card for entry 2242109
Preview
| Coordinates | 2242109.cif |
|---|---|
| Structure factors | 2242109.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(tetra-<i>n</i>-butylammonium) μ-oxalato-bis[bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)molybdate(IV)] |
|---|---|
| Formula | C50 H72 F24 Mo2 N2 O4 S8 |
| Calculated formula | C50 H72 F24 Mo2 N2 O4 S8 |
| Title of publication | Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate |
| Authors of publication | Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| Pages of publication | 1202 - 1207 |
| a | 14.2347 ± 0.0015 Å |
| b | 19.494 ± 0.0019 Å |
| c | 14.4056 ± 0.0014 Å |
| α | 90° |
| β | 103.159 ± 0.005° |
| γ | 90° |
| Cell volume | 3892.5 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.122 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198828 (current) | 2017-07-20 | cif/ hkl/ Adding structures of 2242108, 2242109 via cif-deposit CGI script. |
2242109.cif 2242109.hkl |
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Users of the data should acknowledge the original authors of the
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